SCHEMBL9846448

SCHEMBL9846448

CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)c(O)c2O)c2ccc(O)c(O)c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.57
ESR2 Q92731 8/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
AR P10275 1/20 0.57
TSHR P16473 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR6 P50406 1/20 0.57
ESRRG P62508 1/20 0.57
SLC6A3 Q01959 1/20 0.57
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.42
TYR P14679 2/20 0.42
ALOX15 P16050 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX12 P18054 1/20 0.39
NR1I2 O75469 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL759290 0.87 ESR1 (0.58) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL29375143 0.87 ESR1 (0.58) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL9846556 0.85 MEN1 (0.46) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL6751257 0.81 ESR1 (0.46) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL23861352 0.79 ESR1 (0.52) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL35973 0.78 ESR1 (0.84) ESR1ESR2HSD17B10CYP3A4HPGD
SCHEMBL6053109 0.76 ESR1 (0.62) ESR1ESR2HSD17B10CYP3A4HPGD
Bisphenol A SCHEMBL9774987 0.76 ESR1 (1.00) ESR1ESR2HSD17B10CYP3A4HPGD
Bisphenol A SCHEMBL15062 0.76 ESR1 (1.00) ESR1ESR2HSD17B10CYP3A4HPGD
Bisphenol A SCHEMBL8058731 0.76 ESR1 (1.00) ESR1ESR2HSD17B10CYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443820-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-08-28 EP disclosed